SCHEMBL7675002

SCHEMBL7675002

CCC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2sccc2F)C1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.42
PTGS1 P23219 6/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6997975 0.90 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6996125 0.89 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL7000936 0.86 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6998108 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6997769 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6997921 0.80 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6999353 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6996728 0.80 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7003062 0.80 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6999320 0.80 PTGS2 (0.44) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed